Crystallography Open Database

Information card for entry 1551208

Preview

Coordinates	1551208.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMS2MeCarba
Chemical name	TMS2MeCarba
Formula	C19 H27 N Si2
Calculated formula	C19 H27 N Si2
SMILES	[Si](c1ccc2c(n(c3c2ccc([Si](C)(C)C)c3)C)c1)(C)(C)C
Title of publication	Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage
Authors of publication	Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	26
Pages of publication	3910
a	15.104 ± 0.007 Å
b	6.317 ± 0.004 Å
c	20.8662 ± 0.001 Å
α	90°
β	96.345 ± 0.011°
γ	90°
Cell volume	1978.7 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.889
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223574 (current)	2019-11-07	cif/ Updating files of 1551207, 1551208 Original log message: Adding full bibliography for 1551207--1551208.cif.	1551208.cif
215693	2019-06-05	cif/ Adding structures of 1551207, 1551208 via cif-deposit CGI script.	1551208.cif